Numerical methods with a high order of accuracy applied in the quantum   system

doi:10.1063/1.470923

CORC > 北京大学 > 化学与分子工程学院

	Numerical methods with a high order of accuracy applied in the quantum system
	Zhu, WS ; Zhao, XS ; Tang, YQ
刊名	journal of chemical physics
	1996
关键词	SYMPLECTIC INTEGRATORS DYNAMICS
DOI	10.1063/1.470923
英文摘要	Two kinds of numerical methods with a high order of accuracy are developed in this paper. In the general classical Hamiltonian system, it was claimed that no explicit n-step symplectic difference method with the nth order of accuracy can be achieved if n is larger than 4. We show that there is no such constraint in the quantum system. We also exploit to investigate the high order Newton-Cotes differential methods in the quantum system. For the first time, we work out the generalized derivation of explicit symplectic difference methods with any finite order of-accuracy in the quantum system. We point out that different coefficients in the same multistep symplectic method will lead to quite different results. The choices of coefficients and order of accuracy for the best efficiency in multistep symplectic methods and Newton-Cotes differential methods are studied. The connections between explicit symplectic difference structure, Newton-Cotes differential schemes, and other methods are presented. Numerical tests on the model system have also been carried out. The comparison shows that the explicit symplectic difference methods and the Newton-Cotes differential methods are both accurate and efficient. (C) 1996 American Institute of Physics.; Physics, Atomic, Molecular & Chemical; SCI(E); 48; ARTICLE; 6; 2275-2286; 104
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/313473]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Zhu, WS,Zhao, XS,Tang, YQ. Numerical methods with a high order of accuracy applied in the quantum system[J]. journal of chemical physics,1996.
APA	Zhu, WS,Zhao, XS,&Tang, YQ.(1996).Numerical methods with a high order of accuracy applied in the quantum system.journal of chemical physics.
MLA	Zhu, WS,et al."Numerical methods with a high order of accuracy applied in the quantum system".journal of chemical physics (1996).